SCHEMBL4451381

SCHEMBL4451381

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NCCCC(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.41
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16326597 0.91 TYMP (0.43) TYMPHPGD
SCHEMBL668541 0.90 TYMP (0.43) TYMPHPGD
SCHEMBL18954874 0.88 TYMP (0.43) TYMPHPGD
SCHEMBL21591932 0.88 TYMP (0.43) TYMPHPGD
SCHEMBL21073923 0.88 TYMP (0.43) TYMPHPGD
SCHEMBL19493308 0.88 TYMP (0.43) TYMPHPGD
SCHEMBL17304163 0.88 TYMP (0.43) TYMPHPGD
SCHEMBL18927167 0.88 TYMP (0.43) TYMPHPGD
SCHEMBL20691389 0.86 TYMP (0.57) TYMP
SCHEMBL5694196 0.86 TYMP (0.42) TYMPHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133560-A1 NON-HYDROLYZABLE AND PERMEABLE CYCLIC BIS-[NUCLEOTIDE MONOPHOSPHATE] DERIVATIVES AND USES THEREOF SMART ASSAYS (IL) 2009-11-05 WO disclosed